:-) GROMACS - mdrun_mpi, 2020.2 (-:
GROMACS is written by:
Emile Apol Rossen Apostolov Paul Bauer Herman J.C. Berendsen
...
Back Off! I just backed up ener.edr to ./#ener.edr.1#
starting mdrun ''
1000 steps, 2.0 ps.
step 0
vol 0.90 imb F 10% step 100, remaining wall clock time: 76 s
vol 0.96 imb F 2% step 200, remaining wall clock time: 66 s
vol 0.96 imb F 2% step 300, remaining wall clock time: 57 s
vol 0.94 imb F 2% step 400, remaining wall clock time: 49 s
vol 0.95 imb F 1% step 500, remaining wall clock time: 41 s
vol 0.96 imb F 1% step 600, remaining wall clock time: 32 s
vol 0.97 imb F 2% step 700, remaining wall clock time: 24 s
vol 0.96 imb F 1% step 800, remaining wall clock time: 16 s
vol 0.97 imb F 2% step 900, remaining wall clock time: 8 s
vol 0.97 imb F 1%
Writing final coordinates.
step 1000, remaining wall clock time: 0 s
Dynamic load balancing report:
DLB was turned on during the run due to measured imbalance.
Average load imbalance: 2.6%.
The balanceable part of the MD step is 80%, load imbalance is computed from this.
Part of the total run time spent waiting due to load imbalance: 2.1%.
Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % Y 0 % Z 0 %
NOTE: 7 % of the run time was spent communicating energies,
you might want to increase some nst* mdp options
Core t (s) Wall t (s) (%)
Time: 4246.049 88.475 4799.1
(ns/day) (hour/ns)
Performance: 1.955 12.276
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